Why Do Boron and Nitrogen Doped α- and γ-Graphyne Exhibit Different Oxygen Reduction Mechanism? A First-Principles Study

Xin Chen; Qingan Qiao; Li An; Dingguo Xia

doi:10.1021/acs.jpcc.5b02505

Why Do Boron and Nitrogen Doped α- and γ-Graphyne Exhibit Different Oxygen Reduction Mechanism? A First-Principles Study

The Journal of Physical Chemistry C ◽

10.1021/acs.jpcc.5b02505 ◽

2015 ◽

Vol 119 (21) ◽

pp. 11493-11498 ◽

Cited By ~ 47

Author(s):

Xin Chen ◽

Qingan Qiao ◽

Li An ◽

Dingguo Xia

Keyword(s):

Oxygen Reduction ◽

First Principles ◽

Reduction Mechanism ◽

Nitrogen Doped ◽

First Principles Study ◽

Oxygen Reduction Mechanism

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A Discussion on the Oxygen Reduction Mechanism of Nitrogen-Doped Carbon Nanotubes

ECS Meeting Abstracts ◽

10.1149/ma2010-02/10/941 ◽

2010 ◽

Keyword(s):

Carbon Nanotubes ◽

Oxygen Reduction ◽

Reduction Mechanism ◽

Nitrogen Doped ◽

Nitrogen Doped Carbon ◽

Oxygen Reduction Mechanism

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First-principles study of reduction mechanism of oxygen molecule using nitrogen doped graphene as cathode material for lithium air batteries

Acta Physica Sinica ◽

10.7498/aps.68.20190181 ◽

2019 ◽

Vol 68 (12) ◽

pp. 128801

Author(s):

Bin-Peng Hou ◽

Zuo-Liang Gan ◽

Xue-Ling Lei ◽

Shu-Ying Zhong ◽

Bo Xu ◽

...

Keyword(s):

Cathode Material ◽

First Principles ◽

Oxygen Molecule ◽

Reduction Mechanism ◽

Nitrogen Doped ◽

First Principles Study ◽

Nitrogen Doped Graphene ◽

Doped Graphene ◽

Lithium Air Batteries

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First-principles study of interfacial effects toward oxygen reduction reaction of palladium/La1-xSrxCo1-yFeyO3-δ cathodes in solid oxide fuel cells

Applied Surface Science ◽

10.1016/j.apsusc.2021.150218 ◽

2021 ◽

pp. 150218

Author(s):

Mingrui Wei ◽

Haizhao Li ◽

Xiyong Chen ◽

Guanlun Guo ◽

Yihui Liu ◽

...

Keyword(s):

Fuel Cells ◽

Solid Oxide Fuel Cells ◽

Oxygen Reduction Reaction ◽

Oxygen Reduction ◽

First Principles ◽

Reduction Reaction ◽

Solid Oxide ◽

Oxide Fuel ◽

Interfacial Effects ◽

First Principles Study

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First-principles study of the magnetic properties of nitrogen-doped alkaline earth metal oxides

Physica B Condensed Matter ◽

10.1016/j.physb.2011.08.044 ◽

2012 ◽

Vol 407 (15) ◽

pp. 2875-2878 ◽

Cited By ~ 17

Author(s):

Masayoshi Seike ◽

Van An Dinh ◽

Kazunori Sato ◽

Hiroshi Katayama Yoshida

Keyword(s):

Magnetic Properties ◽

Metal Oxides ◽

First Principles ◽

Alkaline Earth ◽

Earth Metal ◽

Alkaline Earth Metal ◽

Nitrogen Doped ◽

First Principles Study ◽

Alkaline Earth Metal Oxides

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First principles study on the oxygen reduction reaction of Ir@Pt Core-Shell structure

Chemical Physics ◽

10.1016/j.chemphys.2021.111356 ◽

2021 ◽

pp. 111356

Author(s):

Yanli Lu ◽

Haipeng Zhang ◽

Yifan Wang ◽

Zheng Chen

Keyword(s):

Oxygen Reduction Reaction ◽

Oxygen Reduction ◽

First Principles ◽

Shell Structure ◽

Reduction Reaction ◽

Core Shell ◽

First Principles Study ◽

Core Shell Structure

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Oxygen reduction on zirconium-stabilized-PdO surfaces: a first-principles study

RSC Advances ◽

10.1039/c7ra06939a ◽

2017 ◽

Vol 7 (65) ◽

pp. 41057-41062 ◽

Cited By ~ 1

Author(s):

Xiaofeng Yang ◽

Zongbao Li ◽

Xinyu Li ◽

Ao Wang ◽

Lichao Jia ◽

...

Keyword(s):

Oxygen Reduction Reaction ◽

Oxygen Reduction ◽

First Principles ◽

Relative Stability ◽

Reduction Reaction ◽

First Principles Calculations ◽

First Principles Study

The oxygen reduction reaction properties on PdO and Zr-doped PdO surfaces, and the relative stability of the concerned surfaces, have been studied by first-principles calculations.

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O2 and H2O2 transformation steps for the oxygen reduction reaction catalyzed by graphitic nitrogen-doped carbon nanotubes in acidic electrolyte from first principles calculations

Physical Chemistry Chemical Physics ◽

10.1039/c5cp02167g ◽

2015 ◽

Vol 17 (34) ◽

pp. 21950-21959 ◽

Cited By ~ 20

Author(s):

Yuhang Li ◽

Guoyu Zhong ◽

Hao Yu ◽

Hongjuan Wang ◽

Feng Peng

Keyword(s):

Carbon Nanotubes ◽

Oxygen Reduction Reaction ◽

Oxygen Reduction ◽

First Principles ◽

Reduction Reaction ◽

First Principles Calculations ◽

Nitrogen Doped ◽

Acidic Electrolyte ◽

Nitrogen Doped Carbon ◽

Mixed Mechanism

DFT calculations reveal a mixed mechanism for the oxygen reduction reaction catalyzed by nitrogen-doped carbon nanotubes in acidic electrolyte.

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An oxygen reduction catalytic process through superoxo adsorption states on n-type doped h-BN: A first-principles study

Current Applied Physics ◽

10.1016/j.cap.2015.03.005 ◽

2015 ◽

Vol 15 (6) ◽

pp. 727-732 ◽

Cited By ~ 11

Author(s):

Dongbin Shin ◽

Ranjit Thapa ◽

Noejung Park

Keyword(s):

Oxygen Reduction ◽

First Principles ◽

Catalytic Process ◽

First Principles Study

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Electrochemical oxygen reduction mechanism on FeN2-graphene

Journal of Molecular Modeling ◽

10.1007/s00894-017-3332-x ◽

2017 ◽

Vol 23 (5) ◽

Cited By ~ 8

Author(s):

Jing Zhang ◽

Yuanyang Wang ◽

Zhenping Zhu ◽

MinGang Zhang

Keyword(s):

Oxygen Reduction ◽

Reduction Mechanism ◽

Oxygen Reduction Mechanism ◽

Electrochemical Oxygen

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First principles study of a heavily nitrogen-doped (10,0) carbon nanotube

Physica E Low-dimensional Systems and Nanostructures ◽

10.1016/j.physe.2018.06.003 ◽

2018 ◽

Vol 103 ◽

pp. 201-207 ◽

Cited By ~ 1

Author(s):

Mohsen Jamshidi ◽

Mostafa Razmara ◽

Banafsheh Nikfar ◽

Masoud Amiri

Keyword(s):

Carbon Nanotube ◽

First Principles ◽

Nitrogen Doped ◽

First Principles Study

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